Chem
J-GLOBAL ID：200907042706579529   Nikkaji number：J710.272K

2,4-Bis[(E)-3,5-dihydroxy-4′-(hexyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium

2,4-ビス[(E)-3,5-ジヒドロキシ-4′-(ヘキシルオキシ)スチルベン-4-イル]-1,3-ジオキシラト-3-シクロブテン-1,2-ジイウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C42[C+]2H46O6[O-]2
Molecular formula furigana： C44-H46-O8
Molecular weight： 702.844
InChI： InChI=1S/C44H47O8/c1-3-5-7-9-23-51-33-19-15-29(16-20-33)11-13-31-25-35(45)39(36(46)26-31)41-43(49)42(44(41)50)40-37(47)27-32(28-38(40)48)14-12-30-17-21-34(22-18-30)52-24-10-8-6-4-2/h11-22,25-28H,3-10,23-24H2,1-2H3,(H5-,45,46,47,48,49,50)/q+1/p-1/b13-11+,14-12+
InChI key： RHVRMBJWXUOSPM-PHEQNACWSA-M
SMILES： CCCCCCOc1ccc(/C=C/c2cc(O)c(C3=C([O-])[C+](=[C+]3[O-])c3c(O)cc(/C=C/c4ccc(OCCCCCC)cc4)cc3O)c(O)c2)cc1
Systematic name  (3)：
  • 2,4-ビス[(E)-3,5-ジヒドロキシ-4′-(ヘキシルオキシ)スチルベン-4-イル]-1,3-ジオキシラト-3-シクロブテン-1,2-ジイウム
  • ビス({4-[(1E)-2-[4-(ヘキシルオキシ)フェニル]エテニル]-2,6-ジヒドロキシフェニル})シクロブタ-1,3-ジエン-2-イウム-1-イリウム-2,4-ビス(オラート)
  • bis({4-[(1E)-2-[4-(hexyloxy)phenyl]ethenyl]-2,6-dihydroxyphenyl})cyclobuta-1,3-dien-2-ium-1-ylium-2,4-bis(olate)
Other name (1)：
  • 2,4-Bis[(E)-3,5-dihydroxy-4′-(hexyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium
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